CID 154577123

2-bromo-1-methyl-1-(trifluoromethyl)cyclopropane

Structural Information

Molecular Formula
C5H6BrF3
SMILES
CC1(CC1Br)C(F)(F)F
InChI
InChI=1S/C5H6BrF3/c1-4(2-3(4)6)5(7,8)9/h3H,2H2,1H3
InChIKey
UPTIGORXVZPYNM-UHFFFAOYSA-N
Compound name
2-bromo-1-methyl-1-(trifluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.9605 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.967776 131.1
[M+Na]+ 224.949718 145.9
[M-H]- 200.953224 135.6
[M+NH4]+ 219.994323 151.3
[M+K]+ 240.923658 135.4
[M+H-H2O]+ 184.957760 130.5
[M+HCOO]- 246.958701 148.5
[M+CH3COO]- 260.974351 185.3
[M+Na-2H]- 222.935166 139.4
[M]+ 201.95995142 147.5
[M]- 201.96104858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.